3-chloranyl-N-isoquinolin-5-yl-propane-1-sulfonamide

Systemtic Name: 3-chloranyl-N-isoquinolin-5-yl-propane-1-sulfonamide Openeye Name: 3-chloro-N-(5-isoquinolyl)propane-1-sulfonamide CAS Name: 3-chloro-N-(5-isoquinolinyl)-1-propanesulfonamide IUPAC Name: 3-chloro-N-isoquinolin-5-ylpropane-1-sulfonamide Traditional Name: 3-chloro-N-(5-isoquinolyl)propane-1-sulfonamide Formula: C12H13ClN2O2S MolecularWeight: 284.76182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NS(=O)(=O)CCCCl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NS(=O)(=O)CCCCl

InChI

InChI=1S/C12H13ClN2O2S/c13-6-2-8-18(16,17)15-12-4-1-3-10-9-14-7-5-11(10)12/h1,3-5,7,9,15H,2,6,8H2